@<TRIPOS>MOLECULE
71444684
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.2379     0.3375    -0.9039	S	1	noname	-0.0546
2	O1    -2.2108    -2.5920    -0.9543	O.3	1	noname	-0.1914
3	O2     1.7997     3.0657    -3.0715	O.3	1	noname	-0.1914
4	O3     1.2805     0.0330     0.2573	O.2	1	noname	-0.1796
5	O4    -0.8800     1.3316    -0.3652	O.2	1	noname	-0.1796
6	O5    -0.8694    -1.8256     0.6846	O.2	1	noname	-0.2386
7	O6     2.1883     2.4879    -0.9296	O.2	1	noname	-0.2386
8	N1    -0.4810    -1.0971    -1.4014	N.3	1	noname	0.1625
9	N2     1.0364     1.0435    -2.2025	N.3	1	noname	0.1625
10	C1    -3.3060    -2.8519    -0.0886	C.3	1	noname	0.0550
11	C2     1.8786     4.4620    -2.8255	C.3	1	noname	0.0550
12	C3     1.6866     2.2038    -2.0387	C.2	1	noname	0.1130
13	C4    -1.1771    -1.8361    -0.5269	C.2	1	noname	0.1130
14	C5     2.0003     5.2081    -4.1557	C.3	1	noname	-0.0409
15	C6    -4.3324    -3.7254    -0.8127	C.3	1	noname	-0.0409
16	H1    -0.3921    -1.3904    -2.3217	H	1	noname	0.1571
17	H2     1.0268     0.6113    -3.0708	H	1	noname	0.1571
18	H3    -3.7710    -1.9099     0.2019	H	1	noname	0.0570
19	H4    -2.9503    -3.3712     0.8014	H	1	noname	0.0570
20	H5     0.9789     4.7908    -2.3055	H	1	noname	0.0570
21	H6     2.7523     4.6736    -2.2091	H	1	noname	0.0570
22	H7    -5.1730    -3.9250    -0.1481	H	1	noname	0.0254
23	H8    -4.6880    -3.2062    -1.7026	H	1	noname	0.0254
24	H9    -3.8673    -4.6675    -1.1032	H	1	noname	0.0254
25	H10     2.0609     6.2800    -3.9669	H	1	noname	0.0254
26	H11     1.1266     4.9966    -4.7722	H	1	noname	0.0254
27	H12     2.9001     4.8794    -4.6757	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	4	2
2	1	5	2
3	1	8	1
4	1	9	1
5	2	10	1
6	2	13	1
7	3	11	1
8	3	12	1
9	6	13	2
10	7	12	2
11	8	13	1
12	8	16	1
13	9	12	1
14	9	17	1
15	10	15	1
16	10	18	1
17	10	19	1
18	11	14	1
19	11	20	1
20	11	21	1
21	14	25	1
22	14	26	1
23	14	27	1
24	15	22	1
25	15	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1